| Name |
Neochebulinic acid |
| Formula |
C41H34O28 |
| Mw |
974.12366051 |
| CAS RN |
18913-60-5 |
| C_ID |
C00064073
|
| InChIKey |
LMHADULVMWIGNJ-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C41H34O28/c42-15-1-10(2-16(43)26(15)51)36(59)64-9-22-32(66-40(63)14(8-23(49)50)25-24-13(7-21(48)29(54)30(24)55)39(62)67-33(25)35(57)58)34(68-37(60)11-3-17(44)27(52)18(45)4-11)31(56)41(65-22)69-38(61)12-5-19(46)28(53)20(47)6-12/h1-7,14,22,25,31-34,41-48,51-56H,8-9H2,(H,49,50)(H,57,58) |
| SMILES |
O=C(O)CC(C(=O)OC1C(COC(=O)c2cc(O)c(O)c(O)c2)OC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1OC(=O)c1cc(O)c(O)c(O)c1)C1c2c(cc(O)c(O)c2O)C(=O)OC1C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Combretaceae | Terminalia chebula  | Ref. |
|
|
zoom in
| Organism | Terminalia chebula |
|---|
| Reference | Singh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA. |
|---|
|
